Study : Rv0374c (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C8_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C8_S1
Complex: FES_A_2(5EPG) / Model_66(5EPG/A) = [3.3] Download125.87-4.44MQVNMTVNGEPVTAEVEPRMLLVHFLRDQLRLTGTHWGCDTSNCGTCVVEVDGVPVKSCTMLAVMASGHSIRTVEGLAGPDGQLDPVQEGFMRCHGLQCGFCTPGMLITARALLDRNPDPDEQTIREAISGQICRCTGYTTIVRSIQWAAAHQTVKAQS
Complex: FES_C_14(4ZOH) / Model_9(4ZOH/C) = [3.7] Download137.97-3.08MQVNMTVNGEPVTAEVEPRMLLVHFLRDQLRLTGTHWGCDTSNCGTCVVEVDGVPVKSCTMLAVMASGHSIRTVEGLAGPDGQLDPVQEGFMRCHGLQCGFCTPGMLITARALLDRNPDPDEQTIREAISGQICRCTGYTTIVRSIQWAAAHQTVKAQS
Consensus
[pKd Mean = 3.50]
-131
(s=6)
-3
(s=1)
MQVNMTVNGEPVTAEVEPRMLLVHFLRDQLRLTGTHWGCDTSNCGTCVVEVDGVPVKSCTMLAVMASGHSIRTVEGLAGPDGQLDPVQEGFMRCHGLQCGFCTPGMLITARALLDRNPDPDEQTIREAISGQICRCTGYTTIVRSIQWAAAHQTVKAQS